metabolite_name	HFX3_CP1_FZTM220002975-1A_N1 group	HFX3_CP2_FZTM220002976-1A_N2 group	HFX3_CP3_FZTM220002977-1A_N3 group	HFX3_CP4_FZTM220002978-1A_P1 group	HFX3_CP5_FZTM220002979-1A_P2 group	HFX3_CP6_FZTM220002980-1A_P3 group	HFX3_1074585_CP_QC1	HFX3_1074585_CP_QC2	HFX3_1074585_CP_QC3
L-Phenylalanine	14604975312	14404703668	15373719357	15764928122	16662744666	15866382175	13765072160	14963666496	12742094566
L-(-)-Methionine	5622673009	7431206204	6830989727	7071032271	8588032231	4830212944	4824715478	5229727019	6344346211
D-(+)-Proline	5606025150	4316934185	4921704555	5434631474	5429084884	5243070064	4298804719	4726308838	4260863944
2-Hydroxycinnamic acid	5033626643	3006676682	3621328529	3920997834	4930338878	3463038471	4109012662	5311105051	3270301209
Choline	4259445097	4353720687	4591510661	5067366926	4209925596	3944659617	4129207328	4388928620	3874427530
L-Methionine sulfoxide	1847146901	1568510658	2052207552	2268953140	1874114543	2279256625	1688663995	2038376976	1748530310
D-(+)-Pipecolinic acid	2524509527	2894898295	2515827466	2707958541	2598344750	2377451759	2212643601	2474845882	2167855090
Nicotinamide	2546375619	1962858368	2354897489	2220647233	2463995504	2272233147	2029125055	2294279085	1999808205
L-Glutamine	1563433542	1601154053	1372469539	2040827581	1568665393	1392460427	1142194964	1178068707	1078455146
L-Pyroglutamic acid	1628574017	1296496316	1191934932	1400801900	1417467967	1042900820	747246722.6	1292627452	1120533231
5-Hydroxyindole-3-acetic acid	709364675.5	566003936.8	635040737.8	1040134267	1085757113	1054229319	745554569.9	816739498.8	708508960.3
L-Kynurenine	693256251.9	553859099.2	622576704.1	1021618153	1060430043	1030614182	731377208.9	799153871.5	693138837.2
N3,N4-Dimethyl-L-arginine	804833857.2	922630820.4	829565983.3	909366901.2	970398018.3	873795125.6	736395300.1	829126931.3	704917288
L-Threonine	562500385.3	569908269.1	490171576.1	608063294.6	540308872.8	483449889.8	446441752.2	478373542.5	411332774.1
Di(2-ethylhexyl) phthalate	181621431.2	247409572.8	278850406.6	522919899	367069645.6	309630437.8	353693183.7	384117928.3	232775493.4
DL-Glutamine	518270534.8	438727397.4	266732829.8	593114449.6	520930109.4	445920970.4	361163291.6	424014773.4	338399194.5
Asparagine	359953091.8	381826992.1	424081577.6	474435731.4	266754560.3	267512346.6	287064959.1	343990734.1	239886901.9
5'-S-Methyl-5'-thioadenosine	360561388.7	244644990.1	318119061.4	301936861.9	282955111.7	252154991.7	264257883	298047695	255581865.2
N6-Acetyl-L-lysine	196956116.1	335249837.5	228469787.7	187902194.6	288948818.6	240194808.4	158170391.1	235515467.8	169571781.6
Cytosine	129265263.2	135651050.6	191684026	154809156	113538325.7	109605975	172622789.7	158803616.4	168390769.9
D-Serine	224184075.5	246228037.5	194742515.1	327833442.3	209395665	191322581	193616799.8	193974164.6	173924899.2
2-Amino-1,3-octadecanediol	160326109.8	144710012.5	180405588.9	191438864.8	207624561.7	181726954.8	195185572.2	218443045.9	167319255.8
Adenosine	59253228.84	47352046.02	58207669.06	133119911.4	57870482.62	79626176.94	70542755.57	79584661.27	95114772.42
8-Hydroxyquinoline	75911647.67	61792892.2	66374632.31	124075709.4	120971485.3	133421940.3	81529211.8	89458663.47	79175706.72
Methionine sulfoxide	35892105.24	39685815.04	54206037.18	67016096.69	39242368.87	62746730.85	54593329.67	60502057.76	53046963.96
4-Acetamidobutanoic acid	73410866.26	67734746.92	84020416.76	89115982.54	96951375.97	96032305.3	69919187.5	80030011.33	59066255.76
Pipecolic acid	87165493.05	73323157.94	78577716.69	77389576.34	45115055.16	59513715.77	54852951.88	43987461.36	58827073.28
N6,N6,N6-Trimethyl-L-lysine	77898817.42	78986308.3	64683475.24	96705608.39	80049274.76	76263540.08	62929952.2	67000328.52	62855832.41
2-Amino-1,3,4-octadecanetriol	66772788.57	68849210.1	71528082.93	68582291.36	70530002.86	59128428.64	72151605.03	77419127.99	60238721.62
Spermine	9585839.231	7270976.367	11677293.65	7968452.947	13997724.8	22138826.94	13892246.97	14523521.42	11210544.03
Pyridoxine	48507755.11	40044874.66	48040189.54	49843210.06	59636299.1	52818097.39	43287259.37	57327006.98	52329557.21
4-Guanidinobutyric acid	29702710.51	17320491.8	25538257.49	31610490.07	32472109.98	31573583.22	25248125.51	28324535.13	23322486.31
N-Acetyl-DL-glutamic acid	18583501.53	10681059.47	15289572.43	20607767.1	20078156.18	21131453.7	15852868.12	19280492.79	17193378.89
Indirubin	6770233.846	7217993.485	6813146.125	9197944.888	8689059.841	7242156.42	6655690.517	9043658.932	7665817.676
Genistein	483225.6167	479533.3186	8329482.78	526007.7531	528360.2744	498644.0825	1284662.519	1073738.484	1284584.363
DL-Tryptophan	4641361472	4788082069	5370770975	4822134488	5623838442	5164779411	4566666668	4969885330	4343473737
Hypoxanthine	4536322185	3210643153	4801412259	5225825726	4988486240	4853359162	4296739101	5346162057	4923354794
DL-Arginine	4041718404	3958370543	3756246287	4344583661	4049033617	3912518249	3410920194	3718391931	3032029903
L-Tyrosine	3522660393	2481425203	2821934418	2468009873	4005064427	2714130349	3481612134	2467052859	2188625066
Guanine	1816865120	1728280949	2266683095	2776118669	2647407194	2330567267	1607189721	1057655353	1840126090
Glycyl-L-leucine	1648736721	1439870619	1555907623	1277520618	1502997181	1493599347	1261315896	1370195427	1237322951
L-Glutamic acid	1537575208	1302804062	1337491048	1878262248	1196871027	1286437574	1051963586	1328747987	1171721025
Inosine	597325244.2	422138803.6	695033071.1	443254509.2	547079389	769343878.9	552639931.5	860088936.1	654715059.7
Pantothenic acid	785674041.5	602341101.1	660543404.2	955936326.3	742086226.4	730968403.8	653849607.9	754322111.7	658595237.7
Uracil	486912372.3	439098482.9	560328066	607516882.3	650155052.7	601112733.6	480912494.1	547888952.9	533737629
?-Aminobutyric acid (GABA)	342477253.4	178162125.8	215834054.1	292700363.8	326856924.5	276188446.8	270336602.1	296464734.4	236834655.8
L-Histidine	292343031.5	290713723.6	271630779.9	311704302.1	274239555.1	271426316.9	223409158.2	270359433.6	195529270.8
D-Alanyl-D-alanine	256377708.2	278678838.6	280872942.6	226201738.8	245829807.7	236572690.6	229909703	253707595.9	224587485.7
L-Glutathione oxidized	145907888.7	29781553.8	79600021.43	57480138.95	67716342.54	62469511.27	94771071.49	103964208.5	75978025.34
a-Aspartylphenylalanine	255243369.4	175861220.5	250149805.3	192271153.3	228761988.5	199463527.4	194750786.5	196251614.2	184859904.1
Creatine	114204626.1	81515999.99	101238730.8	192807847.8	182797457	172543189	122881444.4	133419373.6	122421089.5
3'-Adenosine monophosphate (3'-AMP)	138391470.2	137678518.4	117608370.6	174119479.7	155662149.2	139133867.9	123569736.9	151963516.7	133339316.4
Adenine	97389456.97	70581167.32	92250092.01	84264538.17	84445697.05	81944048.37	82800934.44	89349112.48	82633939.82
Thymine	78189238.82	59981027.62	84650199.6	75619653.23	76963275.34	69092931.3	65334522.67	70062100.4	66602970.56
Carnosine	56973438.1	66781826.32	61290181.07	66625034.16	51510120.38	54372056.6	52478070.66	49923764.63	43078938.75
S-Adenosylhomocysteine	28500601.58	29048962.97	30683244.39	44636144.14	33198172.34	32199082.28	26288077.78	32652306.79	24962972.59
Daidzein	756731.8136	765532.8215	8626693.343	756687.2729	719336.1431	1173169.098	1834363.47	1743972.355	1872604.169
PC (16:0/16:1)	22235991321	15054305758	14290079199	7993494149	11532230438	15186288522	18545166718	13057008213	23184692943
L-Adrenaline	14492833015	14251143093	15250133686	15555458224	16500877860	15670983440	13590604255	14788387272	12587174905
PC (17:1/17:1)	9414614464	9638877898	10907476171	4859012743	4921798270	9024768886	9813287753	5989275532	10330293300
PC (18:3e/15:0)	5426189737	4934742223	5327617959	3314746947	3858053002	5163520162	7246956156	4251360216	6766555749
PC (15:0/15:1)	4451006357	2946899497	3542153821	3517865897	7147744634	4531733500	6121664948	5436700969	5264989189
Monoolein	5125039846	4600163363	5611844635	6114013441	6091804523	5140747826	5239825549	4698820887	3504662927
TKK	5555759108	5509849741	4548418996	6365166887	3937222595	4103244875	1555704269	1744179323	1434576361
Indole-3-acrylic acid	4689804598	4825492204	5425470064	4872556563	5672022154	5207606600	4608345764	5007772583	4384515469
PC (14:1e/4:0)	3565584661	3417834385	4625261062	5349348795	5001184074	4905584195	4297562342	4567158880	3651225560
1-Palmitoylglycerol	3890033353	3395900878	4337224928	5122253942	4773942613	4039029316	4065572080	4118046401	2705772760
DL-Norvaline	3501834332	3712224174	3848269549	4006203494	4173080107	4476873331	3016506938	2723606678	2899495109
2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid	3809125745	3422871691	3247318753	4642492798	3712825528	3862327186	3155772846	3655606691	3036657729
2-oxopiperidine-3-carbohydrazide	3679390893	3596658635	3396150979	3949841555	3673792171	3569205926	3084075520	3388473749	2747294444
PC (14:0e/2:0)	1972349588	2168479682	3064331777	3895875059	3675662111	3354115480	2988619695	3192011690	2637868453
PC (18:2/18:2)	2425659743	1762776209	2488021755	1186944613	1019601178	1855800923	2529844061	1460274817	2699290800
PC (17:1/17:2)	1699079982	1720531386	754451782.6	910261854.9	1406034389	1310961222	2713774314	1549149423	1827465590
Oleamide	677386735.3	632050268.5	2483033916	1013715577	972615763	703921980.7	1220762677	1203569162	874104986.7
PC (14:0e/16:0)	1446267965	1215577097	1252294724	920798129.2	1070314806	1338248432	2205454602	1437931325	1228104298
1-(2-methoxy-4-nitrophenyl)pyrrolidine	1904371830	1991498699	2066548691	1753339021	2040404564	1996829161	1662130924	1870494593	1640484811
D-(+)-Maltose	1466976973	1474864255	1370640529	1639152364	1566369674	1482314410	1278717237	1346120934	1128124902
D-Sphingosine	1066629226	1025084817	1264468187	1398813308	1384283218	1136821555	1285883869	1305490584	1022604654
SM (d20:1/12:0)	1011910087	847182982.4	827623021.9	811100268.3	766008450.6	1044912548	874303709.1	1319907088	1252183658
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid	786586927.3	746994647.7	495636832	1613269970	912455392.4	1078436793	733892329.3	781084906.6	765923540.5
PC (18:3e/2:0)	783273289.8	742248754	1055933303	1515761465	1343544117	1340619341	1200584780	1260660842	973293848.5
PC (14:1e/2:0)	596411397.1	620049291.5	880714988	1258236256	1183429544	1073105722	1272636911	1047316412	901395246.5
SM (d22:1/12:1)	1118661882	991988816.6	863134431.9	757569173.2	984785957.1	1308518904	876975905.1	1100298777	911857919.1
2,3-dihydroxypropyl 12-methyltridecanoate	642528633.7	512485747.3	753562027.7	723175914.5	591945408.9	548603621.9	745869444.7	715766238.8	601087577.8
Ala-Val	557511598.5	589468060.5	741169167.4	431986783.1	524312979.7	559290207.2	484729659.4	653107220	623933783.9
4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazole	25404509.39	26445729.31	23090144.61	27500629.83	28072919.19	25267824.41	739030469.4	651743458	367834188
Pyridoxamine	645036696.3	703459266.4	708527950.2	694594292.2	784438108.7	753107414.5	594536869.2	670822157.7	588309041.4
Thiazolidine-4-carboxylic acid	601126002.8	599519849.2	670982996.4	828093876.3	754285492.3	636835079.8	548929892.8	594671914.7	506410868.9
PC (14:0e/16:1)	384096960.1	412309852.9	477703117.6	262568056.9	243103458.6	354909177.8	274647439.9	401795381.9	572268342.7
1,4-dihydroxyheptadec-16-en-2-yl acetate	496043000.5	414662085.3	550354963.6	593920690	572877450.4	566558988.6	545433835.4	518040257.1	380488317.1
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	553341921.1	397259691.7	518878189	445167255.2	557922991.5	354514604.1	505190277.7	375746071.8	468700355.3
INK	528834815.2	488018191.1	525120998	357242024.3	398401814.4	398041264.9	398560901.5	458179603.7	384432768.8
Alanyltyrosine	456543813.1	457757697.6	509894757.3	433104138.8	425100526.1	427879355.8	403109275.1	430091596.7	382328881.3
Docosanamide	174109449.4	84939462.85	35140311	96821798.11	103461406.1	213050985.4	236106183.4	317523618.9	475110497.5
UR-144 N-Heptyl analog	426933622.8	428471035.2	388171099.2	503750456.6	440461420	397276944.6	411966049	454210883.6	401560136.3
All-Trans-13,14-Dihydroretinol	234654834	214624501.2	410849613	410385534.4	328200501.5	286906552.8	349789230.9	402810219	263921255.3
PC (16:1/16:2)	405610569.8	337824757.6	453145422.6	240480107.8	287842923.2	455414446.4	366867681.5	427949638.3	334859772.5
PC (16:2e/2:0)	223816170.7	149680754.1	188771165.9	259191472.9	226927647.8	255890019.8	379649752.5	250823323.6	286742639.3
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	436723805.9	317128966.6	354266750.9	267585527.9	364125120.9	342856240.1	332914937.5	369447315.6	326104524
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	411540773.5	433834811.2	426741018.5	399678146.6	415364189.3	402813706	361120124.2	393529310.3	355178202.5
Oxytetracycline	2946391.749	4174525.839	2633517.604	4526877.483	9184982.396	5673276.047	422217529.4	429658316.3	380402475.3
Penicillin G	348303153.2	337059750.3	342669487.5	407783675.9	442562275	413447868	332689681.6	363476183.6	313666123.9
Hexadecanamide	123292929	117569897.5	397073776.9	210165127.9	169627583	130817688.9	221134041	246464563	160206591
2,4-dihydroxyheptadec-16-en-1-yl acetate	309416351.3	190967505.7	279299585.9	286516383.3	243077571.6	231559679.6	345447196.5	309062505.3	227087833.4
Mezlocillin	2106069.968	3068039.21	2130886.802	4365298.44	10005783.03	4854403.413	379652784.1	380716282.9	315690942.1
1-(6-hydroxy-4,7-dimethoxybenzo[b]furan-5-yl)ethan-1-one	61724792.56	45869913.35	39349154.88	44204353.89	35902314.68	47227698	338101288.2	320121184.2	261360435.5
(2E)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl beta-D-glucopyranoside	269980427.3	305726915.7	335854669.7	249405106.4	232394233.8	218004941.9	228456905.6	263585497.2	221958327.2
FLK	278972587.6	324841559.3	295353357.3	283234998.2	308029781.8	277804473.3	269233086.4	282816688.9	260936910
C-8 Ceramide-1-phosphate	166416455	191842641	279055128.5	362775118.1	338874050.6	262844345.5	254508035.2	242198564.2	181348400.6
Methyl palmitate	82514586.88	75491710.28	117077591.4	95208871.62	83912237.75	110533244.6	131582341.4	149712802.6	116148987.4
N-Acetyl-aspartic acid	232527796.5	197963079.9	220528132	332149815.9	249413471.3	237666575.5	235875017.8	285493533.9	206461872.3
Stearamide	110033384.7	111206021.2	281565640.3	163719447.3	129828363.2	121017568.3	188592534.1	211944823	116692423.6
Cuminaldehyde	101634528	103667797	96013135.84	127538143.8	115136778.9	76630906.46	126295762.5	142243339.2	120940539.7
N,N-Dimethylsphingosine	144027122.9	139220096.7	173500408.2	243101080.4	217708322.9	190928991.4	199628983.7	208844151.4	168525443.1
Gly-Val	250387205.4	247110450.3	157536761.4	150840292.9	182089305.1	207033729.8	128821142.3	195155952.8	156917192
6-Methylquinoline	208622281.5	207349869.1	240888348.8	238225469.9	247967786.4	232941510.1	203857933.5	224754308.7	183949203
N-Acetylmethionine	230541427.3	220375876.4	216089798	264965250.7	253549895.6	253172677.5	200427892.5	223340886.8	208008348.6
Kanosamine	235420203.6	194502853.4	216932014.3	197493223.1	252284878.7	218479125.1	217129794.6	216019922.5	177314720.7
4-Methylumbelliferone hydrate	232913206.5	229192399.6	211044862.8	268149366.6	221616928.5	208464561.3	223711691.9	231141537.8	203518127.2
SM (d18:1/16:1)	153189513.2	193417306.2	88432877.3	119170188.2	189829563.6	165348583.7	226070216.8	193255523.4	184515336.4
PC (18:1e/14:0)	59812645.75	49262476.55	53518504.63	65815675.39	41532612.65	56602159.16	38323041.38	43371981.25	36439564.97
PC (16:1/17:2)	214295965.1	203255941.3	157901764.7	217687544.9	85055672.87	95510440.77	75974338.51	91560099.25	95187645.58
2-Phenylacetamide	141777102.5	103763680.9	129806593	190696035.9	206382381.4	220907638.7	134596313.6	165425734.3	144485413.8
H-gamma-glutamyl-glutamine	210387985	179836587.7	190243255.3	204815851.9	183757809.4	197407277.4	174345171.2	197461718.5	173780983.5
Sulcatol	9040907.503	8808532.292	9033561.888	13080679.55	13166159.48	8369541.936	207657089.4	173527698.8	166309867.7
Bis(3,5,5-trimethylhexyl) phthalate	129961203.6	178216569.6	118524632.3	142103821	138450207.6	131350753.3	120943425.1	158289311.2	92087544.55
Biotin	195233849.4	128883794.7	141044107	111220294.4	116276240.2	99738524.76	115430745.8	110315967.7	97658989.12
Glu-Thr	193645736.4	186618130.1	182931308.1	160087142.2	157365696.7	153407370.8	146825384.5	163244548.7	150502493.8
L-Cystathionine	169422710.8	146462239.7	154486361.4	88495700.11	176397414.7	177044154.9	133566415.9	120275327.7	181789458.9
PC (15:1/15:1)	107999036	101736258.9	79218948.18	120026094.2	125914565	107405115.6	176838497.1	117238850.1	94631732.72
4-(trifluoromethyl)nicotinic acid	142525765.4	126305805.3	152315948.5	121057355.6	182551600.6	169978607.7	149303996.8	160477134.7	145998151.2
octadec-9-ynoic acid	93386321	74937471.15	103329007.1	125762968.6	81165176.86	101599547.3	99956678.97	99450237.16	52394548.78
Oleoyl ethylamide	91555944.78	88354461.44	109341398.5	154493523.2	135958492.8	122053988.6	126966530	131672115.7	106638003.1
Glucose-6-phosphate	153965115.3	140363821	114949469.2	179994376.1	138836708.4	143576024.5	140189865.1	134198473.5	127367270.6
PC (18:2e/2:0)	114044232.4	106993497.1	135527824	170501881	172230355.9	142396846.6	142244368.3	153063062.7	107711152.9
4-Ethylbenzaldehyde	66446672.32	64598311.13	59835818.01	79322020.93	76512066.94	48570121.67	86299858.83	81430332.51	74524005.49
PC (17:0/18:2)	110142132.9	121461280.7	108031969.2	188782998.8	140246505.9	126628711.4	109272732.8	146431648.8	90415300.5
trans-4-Phenyl-4-piperidinocyclohexanol	105408767.7	126904861.9	150697660.7	115624863.5	128590488.7	121426465.3	122889582.1	135306453.3	117143641.6
7-Hydroxy-3,4-dihydrocarbostyril	23708909.74	125668922.1	142978966.2	156965041	155809890.3	151214035.3	23542850.01	27074333.71	19351724.19
HexCer-NS (d18:1/16:0)	60848189.41	53422233.59	28360448.66	46075948.9	92066467.58	57769367.99	135832654	82971329.71	85986996.76
PC (14:0e/20:3)	114983681.2	103799792.6	66699393.79	162107487	135322347.6	110788062.2	84704079.02	115253279.4	66699089.92
?-L-Glutamyl-L-glutamic acid	133982047.8	111249824.5	111073539.9	113693723.5	104163413.5	105749240.3	104349699.6	107291147.2	90479088.92
PC (14:0e/18:2)	86554896.35	72781187.04	88025724.4	56519280.17	58009014.42	113888138.7	129370838.7	83777991.36	73682949.09
Guanosine monophosphate	103824939.9	90964068.68	105182408.1	120080747.2	112893450.3	131042994.3	98823410.99	85931683.03	66824970.52
2-[(1,3-thiazol-2-ylamino)methylidene]malononitrile	106382961.5	116759990.6	124296062.2	122305062.1	112558102.8	116253393.7	107993489.2	120094425.4	96091008.65
Octadecanamine	43842697	55762808.65	55991253.92	69473011.77	73757001.32	82786452.32	114144098	129246287.3	106352697.9
PC (18:4e/2:0)	57501850.04	43366694.79	57113365.54	81347227.53	80276287.96	75144869.95	111517595.6	75054414.54	80417148.59
Chenodeoxycholic acid-3-beta-D-glucuronide	119746788	110233235.2	115962258.4	93131201.23	75551227.72	73990511.19	83280275.3	105515127.4	87946044.69
o-Cresol	105984082.9	100078103	112552799.1	110109402.3	115499809.4	112201891.4	97165898.96	104548304.4	95932596.8
PC (14:0e/14:0)	61473177.13	67863450.43	42124645.91	60444111.4	78129313.35	66601200.96	112119674.2	82789050.3	70650739.47
SM (d17:0/16:1)	67396884.17	65719195.51	45710725.82	51113917.01	58003315.12	65504702.44	97424960.44	80033985.29	80550802.25
Valylproline	62948752.12	66110757.67	89561396.68	68160386.47	119540483.2	49628896.76	60426666.86	42387792.2	58632251.44
2-Arachidonoyl glycerol	75766478.29	73709060.66	82914563.64	86019788.97	80490275.64	112463921.1	84824107.89	74311769.36	58097029.83
Prolylglycine	105536837.7	95574328.34	106273749.9	106588609.3	101685522.2	105218059	82351286.3	93137619.23	84584718.82
3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole	9639698.856	10307640.55	7867873.401	9213717.957	8881701.133	7861728.163	65612156.37	113777625.9	67460895.94
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	78667625.68	61141914.77	74178937.49	90816416.46	76522693.57	69746446.98	92036175.06	109721548.6	99603403.85
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole	76463910.32	104974757	69667198.12	95834866.86	105857441.7	101065496.1	41593793.83	81290284.32	67343910.33
7-methyl-3-nitroimidazo[1,2-a]pyridine	86696442.75	103217589.5	25548946.95	108147107.1	107275059.1	98986256.3	90449226.86	100564059	76299616.68
3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile	96958781.23	73671994.54	98137316.15	87229152.7	89082381.01	83894123.42	79295328.99	85533038.56	75568416.92
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate	76025781.92	99750384.92	87756731.8	86939463.47	87386029.35	89864408.15	75082235.29	83748533.67	72131702.3
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	87284746.74	71721886.72	72408293.22	71205638.81	101978261.8	100794498.6	69103568.62	70770606.86	60784697.12
4'-Methoxyflavone	69055001.87	61759459.03	77936577.12	78144919.07	76426192.53	99527556.32	53988794.93	69862618.92	73511224.1
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione	75145462.99	80120969.6	93466842.04	87329150.78	47917284.79	82184858.8	92979574.27	99420691.92	63510698.48
Muscone	50870739.07	46107179.84	67107571.53	74207058.14	65465333.65	61997849.37	92666397.38	92330424.71	60981473.08
Uridine 5'-monophosphate	58802684.26	52458740.71	62385829.25	81209454.02	77875165.8	74691688.1	71402602.36	78355424.59	58994387.16
1,2-dihydroxyheptadec-16-yn-4-yl acetate	61703788.12	57708326.5	83207286.67	95137166.04	84966983.27	81888873.16	82950476.54	98028430.64	59793323.43
Lysopc 20:4	2573436.681	2634406.847	3313075.659	4898503.893	5166532.647	3961488.125	3709996.694	4385660.22	4836943.041
PC (16:1e/4:0)	71952949.34	66925705.06	87438441.26	93548710.47	94280630.17	78149196.57	80919337.2	85307725.85	53603668.24
Desmethylclozapine	80935779.48	89225647.85	73060217.32	74205971.3	73605946.62	74569996.47	68700057.87	78188029.59	61695852.46
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	68337205.73	70295887.49	59652179.55	50995067.18	81527065.47	80584312.21	74239280.06	77027072.03	71612724.4
Palmitoleic acid	67579776.61	60615234.7	83134981.62	74564061.02	72646821.84	64376353.76	66322323.15	62335125.93	53431200.51
N-Propionylglycine	57355082.75	63017506.48	82123241.54	65183008.65	81755402.03	83865689.06	67560479.64	72548400	65262461.08
Anandamide (AEA)	82427936.98	56343989.3	73966783.52	89425869.78	69261718.49	75678448.87	80793610.06	86862159.57	59961172.5
Isoquinoline	67156542.52	63693591.54	80962238.09	75567670.51	81670890.2	75501944.07	62730079.73	71051370.53	65457347.86
N6-Me-dA	81329634.67	29264774.26	53970689.51	84554064.51	73592198.77	70438933.9	45697784.23	49234036.04	47605232.46
3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol	78983386.08	59597211.08	75249906.1	73944016.71	83076268.78	70950447.29	64411280.59	76827844.4	64745286.53
PC (14:0e/4:0)	38267840.46	48274145.73	68523022.86	71723021.07	70362544.72	63545058.49	71535323.61	67925303.37	53636264.02
Lysopc 18:2	25526013.42	26070185.23	34515217.19	60485878.38	54921557.21	33240530.17	51215848.99	46798053.59	44700217
IPK	59991380.75	65894704.31	76180748.69	80327436.1	76088467.75	73010585.27	67480645.62	70944312.17	59597034.55
D-(-)-Aspartic acid	48797769.72	37574422.91	43970523.05	48751674.18	49093368.25	36483570.05	76274392.05	52800494.5	39077049.84
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	65476155.37	73065281.88	75855552.04	52302821.32	72956971.19	61276779.53	57172776.13	69987038.39	54477051.65
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole	76028185.68	70318097.88	74036788.83	75763569.02	73660467.15	67067774.33	61448323.1	65700153.48	65961189.54
MAG (18:3)	36468870.35	34689956.04	43284527.18	45782678.32	51503732.99	31805369.11	41623720.7	52862003.27	43371808.19
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine	65162533.42	72847438.54	74838981.49	52268566.06	71919058.79	60431311.31	56911614.99	69853879.73	53754399.8
2-Phosphoglyceric acid	28284892.16	24262503.13	29325981.73	14536131.48	25731772.5	31433576.81	28598414.35	27495861.85	21319365.77
Enrofloxacin	62301667.76	69245538.86	72915509.98	77697527.89	80504507.42	77511514.65	73746694.64	73346552.77	65691307.05
UR-144 N-(2-hydroxypentyl) metabolite	62239130.28	59416499.15	73065129.04	58469329.91	59133566.21	53591582.17	54560791.91	54832732.95	48453030.77
4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one	70317250.42	62520001.16	17839532.41	54228967.39	67155926.82	61784006.61	59353139.89	59116244.21	51894940.61
Nitrosoheptamethyleneimine	63551835.13	68372502.33	67983986.22	52255034.97	61947092.37	58997640.77	53299820.97	54807614.21	51910810.36
9-Oxo-ODE	66560607.3	45609895.84	67604515.56	51915030.57	49657399.32	43462445.09	44670301.52	46111080.59	38968722.38
N-Tetradecanamide	20674480.04	19112594.5	25965324.52	41868534.66	29620974.07	26338137.47	43128151.26	45711915.08	32720110.8
Indole	63884596.15	62010389.84	65093207.91	64264761.29	65740201.51	68015998.45	55645216.74	69424001.54	54750010.17
LPK	60894246.23	62603530	64714042.29	63329007.91	64659384.57	64990421.77	57948605.43	59184430.61	51680908.7
Oleoyl ethanolamide	45547113.42	45561241.89	59532672.77	68272737.33	70210116.49	61995213.09	56049576.7	65297182.93	47475839.42
2,4-Dimethylbenzaldehyde	39287051.06	41259626	43525914.7	53884523.57	44706257.48	32556823.28	26418658.79	31352684.73	23790506.8
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one	4307341.138	3898617.032	3149219.685	1784171.307	1773007.184	2671471.668	63579631.33	55409970.34	46652457.28
Epigallocatechin	37486393.89	7954494.515	18209889.02	19096136.39	14455656.7	13981488.38	23883494.15	26321525.46	25546742.62
Azetidine-2-carboxylic acid	60108068.74	50915682.14	54128846.87	68775299.97	56319388.41	49895443.78	47153356.02	50060521.29	43152178.27
Cholecalciferol	31787454.98	14475818.6	15858264.36	21489831.78	23019531.99	27320542.28	29254960.47	24419691.96	35869786.09
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	59614875.94	55237803.05	38248908.31	56614463.88	48099959.38	29137748.06	32308168	32712341.14	43933731.45
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	49145670.34	43370290.55	57259257.58	39280765.48	43407989.65	42151059.89	37691327.02	41435986.68	36593825.42
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	49344027.92	45369137.59	53651343.62	30770361.37	45193012.47	46535363.6	37984681.01	47353659.16	39068188.73
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	35443449.94	18883530.84	33967585.94	30698912.55	58289603.11	54085253.3	26508297.85	36120464.19	32973407.24
Targinine	49440231.96	53504245.91	45988331.18	59185013.56	48250831.5	47034994.73	40237361.85	43056486.62	39385914.53
N-acetyl-D-glucosamine	51110605.34	19134516.38	35526445.04	42888769.43	30067877.19	35837594.38	25034538.82	31266198.13	27569381.72
3-hydroxyquinuclidine-3-carbonitrile hydrochloride	33125009.98	42721913.18	36078370.89	45394318.75	45894238.39	52059647.82	34290877.93	34553145.14	30454355.75
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide	31640745.13	35921149.73	48222166.79	46530219.85	43321635.04	43345882.78	21065292.79	38085321.75	44260821.04
Oxohongdenafil	2954445.524	2508241.597	2538772.877	3224311.596	3258188.278	2582364.982	5086308.671	6235642.661	3360219.731
PE (16:1/16:1)	33734870.1	26457547.51	11629163.53	13029574.75	15427265.21	13373702.24	46726100.73	23898475.3	36627901.53
Styrene	28259967.87	16368075.56	12680308.85	19908268.55	16022194.24	16330124.08	31897108.43	20563792.21	31712269.49
N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide	42236853.67	39058818.9	35707598.36	55878977.2	49249372.97	44567930.56	39059812.08	44422544.89	42659302.62
QLK	33241982.29	25970630.58	44776101.78	26534344.78	37280321.81	43541144.97	31551355.54	30889820.27	19382196.27
7-Ketocholesterol	31775924.17	32827017.04	44597205.64	26510850.5	24536527.4	24862117.75	27537553.2	30360391.6	23118235.78
Thymidine 5'-diphosphate	41588476.05	35547099.17	39663784.35	40834570.81	46434259.48	46971096.96	36914910.05	43136896.11	38289448.32
NG,NG-Dimethyl-L-arginine	39702631.32	38970688.95	44119704.83	34379807.68	33247864.41	32842895.98	35482174.64	33377041.98	29531342.47
Anthranilic acid	22169780.93	17909388.29	5743860.982	12233512.92	21047108.52	46098967.7	16840800.18	19690979.18	18625508.18
Phloroglucinol	2284559.734	2669010.522	43178256.53	3334387.181	2454670.208	2316080.402	2868573.758	2010101.578	1821653.491
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one	40540998.15	36794793.84	41936440.33	41046715.57	39297466.99	44673424.54	31379125.17	39162353.13	32147063.61
Creatinine	32918031.06	30475976.94	40968754.35	34805010.3	35397677	37446412.77	30169263.82	34436314.33	29421725.98
FRH	23311362.65	20566965.27	35867808.63	42090772.46	34096512.67	34651142.08	37543505.43	36435575.15	25518478.93
Cytidine 5'-monophosphate (hydrate)	33439266.56	30592750.2	26773230.11	42180575.98	40733770.08	41444606.15	31423286.89	36502144.58	31208793.02
Limonin	17332903.03	17777815.58	26917635.98	46722563.85	37971393.66	35219927.25	27599084.13	29215098.24	24254422.42
N'1-(6-methylpyridazin-3-yl)-4-chlorobenzene-1-carbohydrazide	39017841.97	24882533.92	25520833.31	28505680.89	23811248.39	21225159.86	25827467.39	24874615.47	21993890.06
N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolecarboxamide	31487686.14	27124888.36	38160535.42	29566595.02	37301854.16	26769744.02	20655652.97	28506907.38	22425851.49
N1-(5-methylisoxazol-3-yl)-2-morpholinoacetamide	30944528.63	35011214.36	38100062.05	30665622.34	35654997.77	35060386.71	28284151.22	32089944.97	28410897.89
L-Alanyl-L-proline	31325373.5	35639803.66	37817088.35	26141795.2	37480867.53	10467132.89	30452227.18	25568444.31	29700516.36
dUMP	37647947.39	24541270.42	24427977.26	23302563.21	30507906.57	28190991.34	27452722.23	29237775.94	23630320.84
ELK	30183329.76	33738003.31	37095084.23	29354485.32	30362877.27	28665129.12	24310143.07	30417806.68	27311268.41
3-(4-cyanophenyl)prop-2-ynyl thiophene-2-carboxylate	31108355.78	28038010.58	30904272.07	32701222.78	38791042.39	39230356.84	29191931.85	31834361.3	27777655.9
Dihydrothymine	33553969	22728971.14	27437079.28	38194089.22	37425230.68	32989674.92	30145080.22	35676217.55	30870128.87
5a-Dihydrotestosterone glucuronide	25038897.53	35237238.37	17476478.48	13121003.56	31223635	26793639.61	24252947.48	21852767.38	21427734.21
5,6-Dihydroxyindole-2-Carboxylic Acid	23107978.27	30225719.85	33860307.14	24286418.3	28877979.79	32091937.57	20304709.59	35704960.18	30326863.17
S-Adenosylmethionine	32900679.36	25324241.44	24419456.79	24404407.07	20448543.13	17989629.85	19678979.19	21302531.12	18112802.02
6-Pentyl-2H-pyran-2-one	4567749.842	5474362.933	5342713.726	7484124.851	6771660.637	6164850.99	32614535.57	32390495.88	30033092.07
Cortisone	32105566.07	23378185.85	28969418.35	33042971.67	35535403.6	21832832.67	27512101.39	32235722.71	24642905.22
PC (20:4e/2:0)	20060722.29	19646212.49	23305611.16	30190814.98	28619823.48	32403347.85	28366265.59	25525920.47	14850817.92
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide	30812228.46	27070445.38	25420675.45	37877015.82	25474126.38	24624730.81	22168317.12	26397202.13	20756444.47
N'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide	27995138.95	32003060.82	30047157.64	15926177.4	25359573.2	30844603.14	18737578.76	26563667.82	24197981.48
4-[4-(1-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyridine	17665348.88	16190390.37	30310518.65	29250038.81	33602656.23	27771981.5	28913528.81	26389061.8	22445614.97
Proline-hydroxyproline	25596936.18	24308852.68	28193011.94	26731577.77	30612977.31	32259533.28	24528035.24	28956518.22	25877195.74
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-2-oxobutyl acetate	6734695.128	6096253.008	3825026.799	4897376.14	4336993.243	6281977.788	30186984.32	26576859.92	20567067.97
DL-5-Methoxytryptophan	26434659.91	24960029.78	26384326.67	30364180.68	32891023.72	27634644.39	26028128.92	25934702.64	25015878.52
alpha-Farnesene	18612416.09	17065572.47	17332637.82	21243242.68	21740459.36	21265949.75	22281641.67	22429039.46	17267500.87
PC (16:1/18:5)	29170036.23	11077334.29	13328619.41	18631775.83	25291622.92	26645372.89	30034352.68	30964371.22	17047176.68
1-Methylguanine	22329336.08	20999449.24	29883131.19	29190335.29	32108837.47	22127210.12	26027386.2	27917062.57	23985997.29
1-Phenyl-3-methyl-5-pyrazolone	29341069.77	27047046.59	29868377.05	26558709.04	29760247.94	26801754.21	25773331.03	28916348.94	26617141.92
S-Adenosyl-L-methionine	29893275.02	23591534.87	22415768.3	20883570.77	18597276.89	16237240.56	17375990.95	19266440.49	16766885.01
DL-2-(acetylamino)-3-phenylpropanoic acid	29889209.52	24485972.28	28162207.01	29894789.47	26968754.17	20853154.69	14264629.32	24582327.14	19591231.06
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	11898464.77	11676286.23	15417723.74	18272460.44	16453670.59	15127991.06	18976545.07	18525366.7	17041590.33
2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate	27290063.39	23912390.56	29248562.07	20721256.85	28741801.73	24569671.97	19855694.41	22720683.89	22275189.03
Haloperidol metabolite II	23970405.82	8007817.096	27725214.78	23132683.27	26710645.5	23578119.26	21380757.59	20248024.6	18955289.94
PC (17:2/17:2)	20561114.51	14495768.93	10048999.39	7678944.182	14106093.95	13387740.93	15190359.87	20498855.38	23759203.36
PC (20:3e/2:0)	9447111.811	12457348.29	4786677.141	2162306.89	7914779.349	9316074.902	12006493.44	12745348.86	22270214.46
3-(1-naphthylmethylidene)indolin-2-one	17672216.57	19424244.33	26780014.7	27207104.53	25549741.74	22164026.91	18563748.94	22173161.16	19360263.81
PC (18:2e/4:0)	17294067.94	18006483.02	23699134.07	21995587.12	28109186.12	23197016.71	25236542.85	28402646.64	17895906.23
LLK	26553037.63	21525501.14	23123943.8	18490604.77	23434135.19	23865518.3	19450553.68	22605033.31	21000225.05
PC (18:3e/14:0)	16896126.83	16116210.63	18762824.12	15028031.63	21683855.8	21489369.79	21138139.37	22901743.56	20380954.1
APK	9815300.743	373455.1438	25444023.9	10832663.75	12703751.14	15421761.7	9289895.792	10360039.87	8806077.251
LMK	20671819.77	17699302.63	22484920.27	25904208.25	6469583.133	26890695.99	20576759.48	25809139.04	20169793.62
7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one	24952956.24	22072973.03	25212035.85	19231254.8	23874181.51	23922625.87	21120689.67	25139912.48	21004691.43
EKK	20162674.82	25732068.2	22335809.76	23893446.66	26188405.23	19796476.89	16650837.7	17577560.47	15117602.84
Ingenol-3-angelate	16345100.76	25137717.02	18942904.04	23329354.33	22559497.15	20594839.26	19915278.69	15282555.1	17076568.82
(+)-alpha-Lipoic acid	23749162.72	20135581.99	19604599.39	26063664.58	26076265.01	23172230.58	23112632.24	22096514.7	15580512
3-(3-Methoxyphenyl)propionic acid	14727547.37	18041339.8	18649053.28	19940039.28	24900155.1	20757733.43	17108688.97	17646610.96	14632205.88
Ribulose-5-phosphate	15843799.46	11918680.39	17430382.91	18868940.59	15462303.43	13649686.19	17269749.38	18664471.75	17058399.77
MLK	21267916.79	17689655.29	22673535.95	22404327.7	2641227.194	23055564.93	16520629.47	21576819.61	16137959.49
N,N-Dimethyldecylamine N-oxide	8224195.235	8557272.599	10270054.23	11402832.62	12113964.73	9915089.968	12544856.02	14172744.99	11354404.97
Acetylcysteine	17621690.7	17560309.15	15562673.53	19436043.92	24434011.58	14759984.27	13859296.44	17325158.14	15621557.77
Acetylcholine	22537071.5	13288895.75	19584121.1	22858998.66	20694779.29	20509032.91	18104233.88	19293860.98	17316419.07
ALK	18276732.02	17778143.39	22023374.65	16459287.75	18892053.01	17541644.9	15210221.8	16263839.89	13278124.77
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	8993539.604	10332496.33	10543103.3	8974929.273	10005178.65	9687552.434	21618584.39	16653320.59	11085170.5
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde	6606141.134	6382590.144	8656619.25	10584215.99	10523848.49	9698347.369	11511932.17	12561565.61	10901701.35
N,N-Diethyldodecanamide	4808792.104	4369321.811	6184457.935	8619340.009	6391765.865	6581695.901	9107357.213	9208410.461	8978714.083
Methyl 3-indolyacetate	21316304.49	19085085.95	19684209.89	16691654.57	19831352.31	20656990.86	17941185.26	22092381.91	18449740.95
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	15962691.28	16580795.78	18956538.37	25173232.98	21096490.76	19668856.01	18740470.02	19390839.84	17047493.01
PC (18:3/18:4)	9085781.528	15098878.79	3959542.092	8274887.36	6625960.278	14685510.76	18514876.3	19608708.22	14305238.06
3-{[(4-fluorophenyl)sulfonyl]amino}-5-phenylthiophene-2-carboxamide	14494904.89	16020734.54	19470423.97	23761023.15	22662259.11	21343526.01	16106433.22	16929798.1	17416087.56
4-OHE2-1-N3Ade	16593506.35	17210898.8	14030275.59	14636917.9	21185190.5	21710739.79	15823490.08	14535897.71	13332714.58
2-(1,3,4-oxadiazol-2-yl)phenyl 4-chlorobenzoate	4770207.606	7196999.447	4380502.172	24103379.99	3658427.96	4408306.462	5123975.517	4612486.893	3796489.861
Mag (18:1)	3499779.899	2323249.973	2565969.795	4082168.753	2960287.053	20873065.68	3027287.502	2632515.724	3937014.934
2-[2-(1-isobutylcyclohexyl)-1-methylethylidene]hydrazine-1-carboxamide	11542668.33	12557936.8	16532999.81	19478905.27	15455348.22	19755288.14	19610763.45	12380101.82	14526543.8
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid	10065126.08	8702766.677	9819678.968	9272260.835	21127123.53	10476576.72	8139708.795	8853711.575	7393286.283
Palmitoyl ethanolamide	14918463.11	14588526.33	17119967.68	20900246.69	17500490.63	19325287.09	15425934.35	19286055.59	11519377.91
LPH	14374446.36	10712901.58	11553481.84	13487552.72	9651700.607	13119994.38	10776356.25	12413560.92	9803552.19
Arachidonoyl ethanolamide phosphate	13857063.06	19805739.13	15858897.98	7315031.669	14093534.71	11906045.69	10938527.88	12250083.66	11759513.55
Homo-Gamma-Linolenic Acid (C20:3)	7125399.905	10121812.79	9170132.849	11618854.74	11730737.45	10900902.21	11866135.54	12452288.32	6951099.864
PC(16:0/16:0)	12780905.72	9175464.875	5465158.992	5273153.226	5519362.991	7570741.487	11762346.63	7305379.006	12987937.39
Cortisol	17732431.63	17691942.44	16826067.82	13255189.64	14489594.14	13830976.8	13140330.62	13239085.51	13749238.21
3-N-Methyl-L-histidine	17505830.8	13880906.33	9678467.078	17411600.56	16714720.22	16227270.46	14984655.84	12274422.43	15443607.8
2-(14,15-Epoxyeicosatrienoyl) glycerol	11282423.88	4668096.979	7358187.549	7557285.913	5410676.888	5502665.132	7485602.439	9723457.245	6729459.616
Sulfamerazine	16146864.46	12867626.38	15329792.3	17884711.35	16074874.53	15801595.25	13553255.7	17468782.26	16075098.41
N-Methyldioctylamine	6093751.258	6058020.237	6695030.907	9019518.577	8182801.161	7855510.834	9853979.361	11028006.72	8433854.554
delta-Tocopherol	11078278.22	4763168.906	3529391.92	7030117.394	6800415.939	9711978.509	10431629	5331489.236	9796202.893
L-Tyrosinemethylester	10031564.43	10351861.08	11670160.01	19359567.23	12444675.82	11846325.33	11311077.39	15646779.31	11844672.06
2-Thio-acetyl MAGE	13387232.62	11847607.64	14985493.73	19335104.88	15238646.68	14479480.91	14881452.24	15910938.62	9024526.718
Stearoyl Ethanolamide	3104944.161	3013379.98	6965255.339	4584376.848	2503590.441	3722724.816	5262344.263	6774707.517	4031267.253
2-Methoxybenzaldehyde	13376177.96	16401245.44	10251975.39	17015868.36	15863510.6	12372167.21	14129792.54	14510187.14	9373466.85
N-Acetylsphingosine	4565405.617	11620140.45	7648674.645	11123181.41	9936399.303	8753909.288	9234786.813	8402798.603	11074806.57
EMK	14833125.46	11892651.61	13398721.83	15505218.97	14057118.18	16661687.72	12772881.38	16525815.81	10281453.82
Androstenedione	12156187.11	12446211.67	15621875.11	11089729.96	14641222.98	15878036.8	11582633.03	13403401.79	11275818.08
Spermidine	13017351.11	10439831.63	15601008.66	3618933.005	8672693.944	13064793.35	7838925.921	6952412.034	8077214.827
1-Nitrosopiperidine (NPIP)	11219054.08	15970392.93	9249317.486	10327944.88	10224197.44	11168736	9876372.939	10096451.38	9192951.161
Myristic acid	11499872.87	11019696.08	15165923.87	13091494.02	12395518.5	9557531.266	14558477.36	14195056.24	11728485.83
3-Methoxy prostaglandin F1a	12128049.46	9122075.264	14949422.21	11028666.73	11405524.43	7808301.625	9985683.637	7064517.656	8988688.95
Glyceraldehyde 3-phosphate	12510670.06	13256588.18	10663777.88	11776559.93	13300473.5	12746812.81	14918632.37	13456408.45	13769982.8
O-Acetyl-L-carnitine	14884273.51	10278525.32	13454653.14	11105556.32	13214711.25	12170011.84	10945653.06	9898225.902	9362688.094
VLK	10406079.22	12208625.88	14691232.1	11178273.24	12180386.19	10341571.01	10687633.53	10998699.34	10416932.97
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	14562227.77	9733605.196	13928111.81	14337565.23	11244341.46	9776014.566	13295301.31	13927936.94	8520681.168
SMK	13626849.97	14813192.8	10373458.64	15745342.71	5927986.44	12702744.46	11652816.53	12835190.17	11147143.86
L-(-)-alpha-Amino-epsilon-Caprolactam	12907296.45	13181298.21	11699734.57	12841427.97	12007135.34	15050635.88	9872399.529	11985748.77	10904295.64
GLK	7575653.732	7814005.347	14153459.81	5087000.773	4960216.938	5197086.896	5732442.997	7229293.738	7387313.357
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol	12634827.37	12735156.42	13223512.37	12284866.53	10880528.56	14957953.8	13961655.23	11497033.87	12883569.02
11(Z),14(Z),17(Z)-Eicosatrienoic acid	11274140.3	11979604.31	13887766.71	12626611.19	13945282.96	11770875.87	13491607.36	13340171.37	13498677.68
5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazole	538281.9563	565212.8777	606719.4699	667105.6099	619302.8365	558945.6054	14062724.09	14153054.05	12529745.13
N-P-Coumaroyl Spermidine	13836629.58	14342904.64	11011217.68	16408349.07	9636995.949	9899404.54	3158748.028	3790491.918	3644976.318
2-Phenylglycine	11935956.82	10831606.71	11211757.45	14509498.73	15073246.06	12716859.41	13876833.58	12000561.09	10808883.57
IPH	10429437.8	11896906.97	13843490.68	9952371.103	7180998.98	8325439.005	9665322.576	9216358.896	7295464.32
Adipamide	10037803.33	8446679.107	8717639.98	12789947.3	15075238.52	9666136.283	6067943.478	7232148.525	5789881.798
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile	6349424.994	7545933.115	8912046.018	14277232.01	13048136.47	11499580.6	10516636.46	12772897.37	9814195.88
KMH	4237939.594	5315158.611	3818366.494	6619490.356	6496628.207	4116878.725	4888483.91	7864900.106	6133735.034
PC (18:1/18:1)	3622346.689	484938.4645	13222270.11	12987031.48	13197214.02	404760.7978	5065928.184	8930629.729	9371776.5
PC (18:5e/2:0)	4544244.234	4829891.799	7240819.646	10099682.26	9229900.322	8414992.926	7258641.784	9434243.986	8662431.833
LPC 22:6	5415731.479	4345300.092	4097949.827	5637121.313	5885357.679	4682190.338	7933651.867	6585692.398	8468874.991
2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile	1223285.752	1123305.651	1153278.362	1270283.569	1149314.052	984593.8178	12901660.1	13807389.05	10605366.49
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	12669506.44	11243255.2	12568048.76	9597605.242	10852106.27	10811552.4	9164930.497	11012129.08	10736686.76
PC (18:1/18:5)	5869489.756	6696683.787	7661232.131	6846780.07	8259460.683	5463713.126	12043344.33	12736031.23	8045472.71
7-(2-thienyl)[1,2,4]triazolo[4,3-a]pyrimidine	7179458.935	5203590.881	7204097.607	10787088.85	8084116.653	6524130.862	8081171.847	7367707.212	6473725.043
PC (18:5e/4:0)	2799098.314	3829010.103	4640624.064	3791809.628	5100857.797	5667693.11	6704216.407	6191012.138	3706482.812
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	7559599.329	5518839.658	10161435.18	12364327.33	10133051.01	11744305.75	10514813.3	10545046.99	5232175.495
Psychosine	6156958.859	4526707.218	11689227.42	9724863.305	9877262.842	7138665.572	7255460.681	8937392.857	7566617.878
6-(4-phenylpiperazino)hexanoic acid hydrochloride	11558367.99	10194739.31	1020916.587	9632101.924	11982208.74	8982631.156	8667153.948	8329041.47	8233794.067
LysoPC 20:2	2291901.495	2123575.851	4346052.536	3405296.985	4609083.808	5265346.657	4045243.513	3479799.875	4165235.88
bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate	10802783.72	10383079.72	11414177.35	5522861.526	9365863.109	4851958.602	9032898.344	5408939.302	6331390.351
VMK	7301522.39	9118336.966	9871224.316	8788000.785	9989014.054	11991779.83	10308620.49	8835010.031	7571887.735
5-Methoxyindole-3-Carbaldehyde	5674842.872	5190942.72	5950187.317	9628419.932	10290550.89	9171288.611	6877541.004	10401955.96	7841304.155
Palmitoylethanolamide	6522441.353	7673454.955	11222881.73	9755733.682	8439692.429	7343963.058	8853936.276	8047745.452	6015956.974
PC (18:1/19:2)	2449835.985	2656294.997	3431361.861	3557975.191	2833604.2	2894525.22	2310512.028	2273573.838	2771416.324
Phosphoethanolamine	11152333.48	1835315.819	1752378.365	3193616.132	11084444.62	1782991	9540298.137	9301651.502	6491340.925
TMK	6853130.379	11347618.39	9978884.337	6836282.559	7236220.368	6415819.973	8450025.849	8296832.01	6986769.573
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	2075631.346	2097575.11	1961782.311	2370766.079	2324713.221	1825135.339	10955587.97	10435639.19	5961669.641
5,6-dihydroxyindole	8470846.895	5710854.498	7107030.619	10431611.63	10719640.41	11269262.1	8739001.38	9367977.144	7663502.065
7-(2-aminophenyl)heptanoic acid	2153007.195	2347266.816	4336803.437	5656350.492	4306553.234	3885642.927	4662390.078	5519726.23	4001452.278
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate	1281621.165	1241292.067	1528621.277	1464395.857	1343086.363	1393032.628	2184149.256	2916494.822	1983561.72
Tyramine	10137181.51	9439424.859	9622041.006	7228618.066	8197354.057	8199092.984	8678706.39	7853304.844	8191149.832
alpha-Benzylsuccinic acid	10108912.87	10308684.75	9476492.728	9123569.934	8782219.938	8680815.984	9270293.059	9347025.021	7664206.576
PC (14:0e/12:0)	7481498.157	3120953.227	3367566.994	5624797.441	7497457.97	5727046.123	9743409.867	6008162.722	9529941.498
QPK	6557742.261	7843089.144	9852128.87	6507743.488	8270887.468	8974157.348	5850289.411	5596709.5	7316883.001
6,7,8-trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one	9414204.195	9775386.848	9773046.121	6026927.518	6317617.993	6941537.058	6616681.418	7542402.297	5353238.351
Prostaglandin G2	8965245.261	9966508.408	9161754.313	7646275.368	9563514.829	10197022.48	7734539.367	9080646.432	8686093.035
CYM-5442	9647979.224	7627809.241	9384961.547	6939141.534	3011810.297	8184087.235	7493672.239	6652533.143	6087327.052
Dihomo-?-linolenic acid methyl ester	1759096.688	2501457.59	2694185.373	3326906.81	2847523.598	3078739.122	3168678.304	2702628.714	2294834.358
N-Acetyl-L-histidine	8770438.088	8024703.18	7672711.173	11311333.8	10212808.18	9781255.698	7409177.956	8467140.542	7266965.135
3-Hydroxylidocaine	8279011.053	8874670.279	8721341.379	9819854.159	9040856.137	9732610.023	8436918.885	8829497.432	7006865.215
PC (16:0/17:2)	3208743.915	3959229.546	3177223.739	3779109.374	4160376.973	4270992.155	1870582.776	2509059.241	2513899.207
tetranor-12(R)-HETE	7564776.845	5189925.464	8937181.548	7875423.53	6743197.053	5650930.795	6736370.668	6361197.608	6014917.321
MAG (18:4)	2139762.097	1853143.136	1988179.275	3892460.352	3026304.466	2035470.097	2431944.983	3420265.72	3364688.353
L-Carnitine	7903657.098	7182124.792	8474159.892	6232466.532	9448245.588	9181722.727	7185831.51	7893663.507	7490941.375
PC (14:0e/16:2)	1849012.067	2071905.488	1853956.523	5335381.717	2857550.727	2136936.735	3956213.833	4239575.504	3918664.689
1-Methylhistidine	6425050.378	8789151.702	7784686.114	9339505.151	7899035.771	8928921.331	6030060.494	6792122.42	6597372.299
Ureidoisobutyric Acid	6177188.495	8678729.823	7671711.65	8141840.754	7083605.691	8112828.175	6245508.807	7602703.292	6274866.071
Tetramethylpyrazine	8380116.873	3938249.799	6079511.123	5031376.544	4427455.378	5695392.336	5033567.996	4377807.152	3979472.914
16-Heptadecyne-1,2,4-triol	5070876.348	3306784.248	4348201.113	4860693.541	4273342.938	8662067.608	5632937.404	5014191.117	5177907.188
Pro-Leu	7800092.801	8434563.668	7300997.47	6819984.398	8478933.887	8220213.882	7085865.691	7994089.942	5673283.421
UDP-galactose	5669202.807	3327859.175	7020383.365	4290956.191	4951225.535	4794005.469	5975732.816	4379856.571	4396787.596
N-(9-oxodecyl)acetamide	6471337.525	5673509.699	6014512.858	5741396.962	7807450.951	8204623.012	3652865.51	4221857.843	3205294.933
NAD+	6508104.862	6006811.402	6489500.882	7445914.279	6215417.377	5939025.233	5718540.534	7575412.957	6193613.069
PC (14:0e/3:0)	4067695.01	2755744.467	2366376.236	6554719.457	5063576.317	4781934.025	5619377.773	4798879.093	4813676.614
PNK	3074305.208	6275028.409	3990625.198	6512210.526	6015831.089	6625189.097	7124416.071	5624608.849	5670741.388
Ergocalciferol	5333221.084	6368361.737	7039690.075	4658219.687	4740187.967	4724273.283	4946623.946	4708521.294	5797720.615
Epoxomicin	4987635.558	6388979.241	4618174.708	6779326.505	7644789.444	4408982.571	3325756.349	4423710.147	5452677.949
5-Methyl-2'-deoxycytidine	7021070.26	5383003.436	5377928.734	5391510.424	7552792.174	5693834.349	3456302.217	5283648.806	4500614.417
3-hydroxy-1,5-diphenylpentan-1-one	3901638.233	3008751.251	3671481.571	5471745.179	4278748.003	3386388.803	3725857.684	4284940.965	3900546.214
18-ß-Glycyrrhetinic acid	4097711.124	4225139.742	6196086.799	5416112.433	4481369.947	4172328.709	4548852.395	4661735.193	3438876.03
2-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]acrylonitrile	457778.391	479944.015	438815.7533	502067.2694	453428.6447	423338.6123	5750598.909	5896699.5	5900189.563
Homocysteic acid	1218753.997	1602686.941	1278526.42	1373180.394	1476679.909	1219660.127	1887628.067	2066454.624	1917125.027
PC (20:4e/4:0)	3376682.652	3722844.301	4281199.514	5011397.819	5379259.944	4623605.225	5214153.23	5429603.162	5040276.136
N-Acetyl-L-leucine	813354.4068	803546.8878	839545.7322	983328.6133	979650.706	6179767.873	1072123.822	980881.282	923774.3575
Glycerol-3-phosphate	5770031.356	3346585.569	2514261.197	4565373.222	4792997.785	2616911.793	4269020.092	3259724.862	2555728.546
Fmoc-L-Isoleucine	5354276.575	5036004.531	5703489.996	6644585.372	5532732.233	5653273.244	4754040.969	4391151.155	3787180.92
Thromboxane B2	5124140.867	4566363.528	4032501.673	2977920.931	5131979.583	6035479.675	3489989.635	4065691.007	3073942.267
JNJ-1661010	5740181.459	2771762.389	1313470.32	6267523.176	4827447.475	1629187.479	4531368.569	4841766.677	3693734.772
2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile	4204750.42	3556059.78	5084773.697	6181995.995	6107035.537	5172550.973	4594692.535	4905947.284	4004920.993
L-Hydroxylysine	960764.855	1575201.229	1441377.166	4275514.207	5946225.451	1806106.784	1348279.435	1582076.568	1133513.519
DL-Citrulline	4153647.976	3765483.763	4066665.453	6532610.631	4583724.056	5179116.987	4558198.017	4521461.136	4637057.597
Beta-Muricholic acid	3111524.487	3677878.216	4650238.593	4506349.126	4107906.412	4559178.648	3865674.582	5696256.332	4445327.142
RKK	3712598.242	3862059.762	5129602.667	2716191.159	3247804.583	4099385.037	3029789.142	4057349.594	2729108.965
Taurocholic acid	4005946.348	4516233.31	5120826.313	5251486.771	4068482.021	2732739.351	3610601.96	4079607.514	2667268.691
2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol	3280868.89	3809812.829	3938353.94	5219205.045	5034919.864	4617492.123	3587773.186	4694342.441	4435908.108
2,6-Dihydroxypurine	3658822.123	3389385.663	4272055.326	6059022.425	4145258.86	3796186.442	4373453.739	5187509.841	3066335.87
Sphinganine	2533197.571	1838611.053	2580027.848	2349810.413	2781085.076	4349183.051	2441422.97	4998327.032	3415539.909
Eicosapentaenoic acid ethyl ester	2644945.793	2498171.432	3093154.583	4898102.444	5054619.931	4211019.752	3687287.14	4326432.494	3604831.973
PC (19:2/18:3)	4645969.606	2155465.671	2291671.996	2674908.775	2270629.347	2427894.965	1152356.469	1513252.724	1989899.197
8-Hydroxyguanosine	1446456.206	2480673.945	4432114.68	3061845.495	3364215.359	1891981.462	4505386.724	2848970.234	3527347.217
PC (18:3e/18:5)	2325305.414	4630163.95	1233868.517	2566175.099	2417901.339	1657851.961	1022939.607	1170090.644	1762176.313
5-Methylcytosine	4164175.747	3994935.099	4446839.339	4796759.21	3003342.769	3593341.754	3147194.892	3053646.251	3461404.519
IMH	3038347.983	3129782.444	3880675.424	4275284.727	4844909.656	4629842.217	3605849.671	3288773.121	2693736.308
N-Oleoyl Glycine	792049.9959	1283063.039	1223457.791	918844.1884	1166312.187	785072.1851	1351402.112	966521.2072	1417183.662
NPK	2395978.411	3933536.767	3636404.892	2123606.121	3119505.504	2843486.303	2407277.158	3024469.328	2798615.912
2-(4,4-diphenyl-1-piperidinobuta-1,3-dienyl)phenyl acetate	2384198.468	1377430.917	2298337.598	2224427.186	1678904.39	2237560.05	2372345.474	2410431.051	1852682.065
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide	613740.7892	633788.2533	927550.0626	1204025.236	1011788.5	770257.1802	1363134.446	1399540.897	1009411.208
1-Methylguanosine	105781.4633	98147.47374	110732.2195	102755.6777	94837.84391	2785937.566	90172.03283	98949.44132	77852.96798
beta-Estradiol 17-Acetate	1931772.679	1922082.098	1432966.874	526959.2615	2328828.484	2673681.159	1439442.32	1505817.122	1272576.338
GPH	2310138.032	2097794.117	1974655.092	1536791.24	1841068.116	1353931.609	1457444.243	1845195.634	1211645.389
Milbemycin A3 oxime	1243823.107	2245616.155	1542133.86	2213521.565	1747020.451	1291968.817	986775.2292	1602288.291	938975.6424
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	1148323.596	924015.3518	1771512.665	2401077.922	1910339.467	1947438.075	999279.968	1254200.701	1395831.552
Leucine-enkephalin	2146236.824	1769109.141	1284419.848	1882632.026	1794562.902	1501177.963	1420089.37	1423219.541	1266769.835
Traumatic acid	1743079.427	837099.7096	1369979.156	1785672.312	1137122.248	384238.7294	385826.5063	384447.1106	673513.3632
DGMG (18:2)	1315244.164	1091850.438	1241490.548	850729.9914	1137631.977	813863.5835	1095225.404	1726297.648	1043538.104
Taurolithocholic acid sodium salt	392094.3253	613556.3093	436411.1895	467266.2253	686752.3658	1586899.407	544003.5242	698245.1604	825386.7566
Phe-Pro	452211.6114	493763.5849	430864.8516	503160.1553	656188.2538	581721.5211	536777.7188	472091.782	628918.0796
PC (19:0/20:5)	260394.7908	271736.7568	327267.0756	596525.5906	1540500.419	523959.9388	261312.842	335221.5252	198692.0785
4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole	88585.85555	85299.10597	80768.54025	154684.5747	87934.10892	137898.8267	87978.26148	99348.71527	71471.62727
Tetrahydroaldosterone	449029.9818	65423.0008	119897.9965	82264.66083	66287.85439	97537.76389	83394.46421	78802.50106	64489.88664
PC (16:1/16:1)	3872716085	1982620650	1481298800	1276574402	2587033281	3771652438	4033827853	2951848029	3744392730
L-lysine	2561963394	2932256679	2546648792	2746346431	2632579361	2410052925	2241636230	2503509906	2195961728
PC (14:0/14:0)	1765685453	2292669117	1799516999	2630384585	2792709305	1180307947	1749520731	2718680106	1493886862
Trehalose	1484332384	1494166115	1388071988	1663594665	1585578544	1500349742	1293774324	1360280481	1141363100
Ala-Ile	1135099806	1098998924	1146986936	808811099.9	1073839015	1081721561	990528685.2	1082731064	684444430.1
Phosphocholine	619583003.6	426809413.1	362301079.7	729277101.9	401842449.3	408295141.3	498046216.1	507961500.2	543280647.4
gamma-Glutamylleucine	645608895.1	641534617.9	744648958.5	524800030.2	623047321.1	593814894.3	482321939.2	658071309.3	554772464.1
Leucylproline	517036624.9	566282845.1	119315870.7	634887358.6	642186464.6	587676848.4	513697691.3	544728425.4	489298564.6
Val-Ser	481843987.4	319953773.5	378495339.1	279010303.4	432900388.6	333083121.3	319855098	319407540.5	275737117.9
LPC 14:0	279445147	328774450.9	470876150.7	517203459.6	513319494.1	445378754.3	352295276.8	415496699.7	391177111.4
Gly-Tyr	340743472.3	375336510.9	407896950.9	316654815.3	437270494.1	393833758.8	326688147	356435340.9	323927393.3
(5-L-Glutamyl)-L-Amino Acid	255573579.9	231072316.8	251754634.3	219015640.6	213555500.7	204823511	201497182.2	210079263.3	191800132.4
L-Alanyl-L-Lysine	173541374	186098753	250257695.5	237470454.7	160622788.7	240719212.2	200159120.8	174431992.3	175488829.7
N-Acetylornithine	230026562	189013828.1	185108850.4	179434000.8	151853476.7	154488174.8	195513983.3	163311654.5	146222410.3
Ala-Gln	180020701.1	191216407.6	150145395.5	165460271.7	148872343.7	146427929.2	138976156.7	147990035.4	143323480.9
Phe-Phe	99314320.36	108807935.5	121499722	99167591.22	113709587.3	100817231.4	106352029.9	114353177.1	105563837.5
2-Arachidonyl glycerol ether	111468160.1	95165045.38	120899630.5	117037828.1	139438888.8	96541633.99	131102146.8	105391307	60002524.17
6-Hydroxymelatonin	127793654.7	132703525.8	96188157.18	70646635.36	86486456.25	117644303.6	99909978.6	85995480.22	89472322.5
10-Hydroxydecanoic acid	30720700.09	35700342.43	41866224.37	61045399.87	55373779.81	40487570.59	56914905.09	62956821.83	54310142.87
2-Aminobenzenesulfonic acid	122103776.4	84836078.93	93096490.22	104795345.6	96932962.77	80865614.84	84960528.96	94658663.56	75509548.36
Gly-Tyr-Ala	75036277.93	82524225.58	100091977.9	76855607.72	86248565.32	77897723.87	67869039.08	80387553.18	72246510.91
Ala-trp	76904114.12	84467293.73	90826200.94	69927441.6	30626153.48	66551042.62	77006834.76	76947373.98	66996882.25
L-Cysteine-glutathione gisulfide	91476862.67	46572393.71	76077355.99	77736704.51	72252122.4	74376674.86	77432127.68	79795463.84	74987012.99
gamma-Glutamyltyrosine	80553813.58	74682656.12	90074560.36	62487685.3	67798630.31	71129395.22	67048110.58	66433064.31	61496564.69
UDP	85608906.67	55964069.48	80089630.47	74403391.9	87841133.43	74163747.5	87428695.76	83727832.97	70866108.83
LPC 16:2	23804813.02	27064796.51	46780167.12	68743494.69	62304462.1	56205225.81	47825178.92	54765755.18	50126114.32
Tyr-Tyr	49034709.57	47943746.54	62676582.97	51247508.97	46005724.82	43125985.64	49972298.75	50364291.55	42507180.06
Boc-beta-cyano-L-alanine	54300125.45	58099670.24	58248886.02	49565702.86	53598201.77	46225699.69	49619634.23	50370202.72	42820228.43
3-(3,4-Dihydroxyphenyl)-2-Methylalanine	50473919.67	45027536.84	53052593.95	28129167.18	46808812.7	47499823.6	41340358.98	45240442.44	40788813.03
Thiamine	50923677.18	41835891.37	45166058.52	50811805.93	41697495.83	48918103.37	37510852.59	43447335.67	36045943.47
SM (d14:0/18:0)	31761911.13	35612388.61	21876919.45	21080006.72	27188789.56	29299083.74	45767462.05	32195315.61	36109315.53
cis-gondoic acid	26218614.69	21538755.81	32589593.82	30117393.34	36955670.29	20611108.7	34832960.9	31174090.97	19202632.2
L-Argininosuccinate	21001534.37	24139099.65	20038582.2	37698330.44	25926211.66	19005426.23	18866892.29	18063591.49	18774008.74
LPC 18:3	8381000.518	6450543.257	16887633.6	10879982.89	10516418	17676726.7	17951736.19	13156187.44	12759181.84
L-Palmitoylcarnitine	14980550.76	14082450	20074635.37	20997074.6	16931686.98	15527067.21	11271851.91	16541068.54	13367668.54
gamma-Glutamylcysteine	23630977.72	15678980.55	17502081.31	16316149.07	19466785.66	16963200.61	16754852.98	17658073.24	14894862.23
5-Hydroxytryptophan	12059626.01	13911115.53	21285846.55	18027569.93	20874686.02	7761460.42	15746767.28	17515693.8	15876294.56
N-Acetylvaline	11047383.37	9669343.817	10119957.28	13447008.35	15905892.63	16948469.96	12572861.21	15930182.76	13780235.38
JWH 250 N-pentanoic acid metabolite	16014386.6	19122397.37	19253025.63	16387020.79	19154824.66	19390410.47	17601537.69	16872671.61	14416311.88
LPC 14:1	10544082.65	13473534.61	17871417.67	20496025.21	20720941.62	16196385.73	13309066.19	15668630.82	13898954.56
S-(5-Adenosy)-L-Homocysteine	17002722.17	13007373.69	15663580.3	22120443.66	20377807.33	15267410.6	18631750.45	18300880.93	16627937.69
N-Acetylglucosamine 1-phosphate	17122666.86	11760988.94	11723398.45	11090772.4	12341768.09	11016103.66	12238933.19	11399651.33	10350117.16
Glycocholic acid hydrate	14336382.19	13078776.34	13027486.79	12474870.65	10655504.96	13624280.4	14283038.45	11408130.52	8783074.28
Vitamin A	8048802.884	7459692.114	8647697.586	9844992.256	12015930.9	10976472.98	7978218.937	9265658.039	6040617.623
5a-Dihydrotestosterone	2403687.996	2130303.195	2942825.348	3829845.751	2791621.766	2650982.76	2951599.366	2932922.081	2735379.127

metabolite_name	RT [min]	m/z
PC (18:2/18:2)	10.541	782.56903
8-Hydroxyquinoline	4.682	146.0603
GPH	4.752	310.15164
2-[(1,3-thiazol-2-ylamino)methylidene]malononitrile	1.204	159.99831
L-Methionine sulfoxide	1.86	166.05351
10-Hydroxydecanoic acid	6.628	189.14873
2-Aminobenzenesulfonic acid	1.381	174.0222
Milbemycin A3 oxime	5.551	564.28888
D-(+)-Pipecolinic acid	1.097	130.08643
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	9.184	496.34009
Octadecanamine	7.947	270.31546
PC (18:4e/2:0)	8.89	544.33777
Leucine-enkephalin	5.296	556.27515
Chenodeoxycholic acid-3-beta-D-glucuronide	4.624	569.33002
PC (17:1/17:2)	11.398	756.55304
o-Cresol	4.855	109.06494
PC (14:0e/14:0)	10.897	664.52686
Traumatic acid	5.861	229.14275
SM (d17:0/16:1)	10.648	689.55884
Valylproline	4.755	215.13963
DGMG (18:2)	4.804	340.19861
2-Arachidonoyl glycerol	9.422	379.28433
Prolylglycine	1.382	173.09229
3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole	9.691	315.05664
Taurolithocholic acid sodium salt	4.923	506.28955
Phe-Pro	5.386	525.26978
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	5.854	243.08813
PC (19:0/20:5)	11.449	822.59302
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole	4.643	310.17645
Gly-Tyr-Ala	2.11	310.13986
7-methyl-3-nitroimidazo[1,2-a]pyridine	1.173	200.04065
PC (14:0/14:0)	8.324	678.50671
3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile	5.245	320.12506
4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole	6.321	193.08354
Methionine sulfoxide	1.285	166.0535
Adenine	5.092	136.06213
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate	2.148	297.10809
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	5.147	160.07607
L-Phenylalanine	4.853	166.08635
4'-Methoxyflavone	2.764	253.08531
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione	5.063	276.13495
Nicotinamide	1.874	123.05534
Muscone	9.989	239.2368
Uridine 5'-monophosphate	1.39	325.04337
1,2-dihydroxyheptadec-16-yn-4-yl acetate	8.879	327.25284
Ala-trp	5.08	276.1348
4-Acetamidobutanoic acid	1.389	146.08148
L-Cysteine-glutathione gisulfide	1.341	427.09561
Oleamide	9.997	282.27917
gamma-Glutamyltyrosine	4.63	311.12421
Guanine	3.144	152.05684
Lysopc 20:4	9.161	544.3407
PC (16:1e/4:0)	10.311	550.38666
UDP	1.488	405.00961
Tetrahydroaldosterone	7.823	365.2309
Pipecolic acid	1.396	130.08644
Desmethylclozapine	4.985	313.12219
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	5.195	276.13495
Thymine	4.774	127.05051
L-Adrenaline	4.994	166.08644
Palmitoleic acid	8.345	255.23183
PC (14:0e/16:0)	11.337	692.55865
N-Propionylglycine	2.662	132.06564
Anandamide (AEA)	9.506	354.30011
Isoquinoline	5.144	130.06548
N6-Me-dA	1.291	266.12329
N6,N6,N6-Trimethyl-L-lysine	1.172	189.15976
1-(2-methoxy-4-nitrophenyl)pyrrolidine	4.959	223.10814
3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol	2.341	344.05862
PC (14:0e/4:0)	10.115	524.37122
Lysopc 18:2	9.318	520.34125
IPK	4.701	179.12886
D-(-)-Aspartic acid	1.808	134.04483
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	1.839	296.12439
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole	1.375	272.17175
MAG (18:3)	9.128	353.26816
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine	1.837	279.09772
2-Phosphoglyceric acid	1.322	187.00049
Enrofloxacin	4.994	342.15662
UR-144 N-(2-hydroxypentyl) metabolite	5.288	328.22409
2-Amino-1,3,4-octadecanetriol	7.177	318.30014
LPC 16:2	8.353	492.30893
4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one	1.331	257.0744
L-Glutamine	1.23	147.07655
Nitrosoheptamethyleneimine	5.061	143.11826
9-Oxo-ODE	8.109	295.22449
N-Tetradecanamide	9.885	228.23233
Indole	4.85	118.0654
Glycyl-L-leucine	5.061	189.12366
LPK	4.838	357.24957
Carnosine	1.205	227.1138
Oleoyl ethanolamide	9.889	326.30548
2,4-Dimethylbenzaldehyde	6.89	135.08038
L-Pyroglutamic acid	2.12	130.04991
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one	9.628	445.08398
Tyr-Tyr	4.947	345.14502
Spermine	1.102	203.22333
Epigallocatechin	1.391	307.08347
L-Glutamic acid	1.265	148.06055
Azetidine-2-carboxylic acid	1.263	102.0551
Cholecalciferol	7.987	385.34644
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	1.208	290.14578
Boc-beta-cyano-L-alanine	1.383	215.10304
Trehalose	1.27	365.10556
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	5.188	330.20309
D-(+)-Maltose	1.263	365.10559
Pyridoxine	2.005	170.08144
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	1.351	241.07964
D-Sphingosine	7.207	300.28976
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	4.809	197.12874
3-(3,4-Dihydroxyphenyl)-2-Methylalanine	4.994	212.09207
SM (d20:1/12:0)	8.454	675.54376
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid	1.256	258.11026
Targinine	1.222	189.13463
N-acetyl-D-glucosamine	1.371	222.09734
Thiamine	1.22	265.11163
3-hydroxyquinuclidine-3-carbonitrile hydrochloride	1.378	153.10243
PC (18:3e/2:0)	9.419	546.35565
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide	1.408	337.0152
SM (d14:0/18:0)	10.415	677.55914
PC (17:1/17:1)	10.758	758.56885
PC (14:1e/2:0)	8.697	494.32416
Oxohongdenafil	5.391	481.26343
PE (16:1/16:1)	10.542	688.49072
Styrene	9.002	105.06989
N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide	1.185	235.05708
QLK	4.586	388.25586
7-Ketocholesterol	8.497	401.34146
Thymidine 5'-diphosphate	1.226	403.02881
SM (d22:1/12:1)	9.667	701.5589
NG,NG-Dimethyl-L-arginine	4.885	275.10284
Anthranilic acid	1.447	138.05505
Phloroglucinol	4.956	145.04982
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one	4.94	316.18716
cis-gondoic acid	10.849	311.2948
Creatinine	1.272	114.06628
FRH	9.481	459.24826
Ala-Ile	5.04	203.13953
Cytidine 5'-monophosphate (hydrate)	1.378	302.07831
Limonin	5.596	488.23013
N'1-(6-methylpyridazin-3-yl)-4-chlorobenzene-1-carbohydrazide	1.288	489.1149
N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolecarboxamide	1.825	287.11755
N1-(5-methylisoxazol-3-yl)-2-morpholinoacetamide	1.131	248.09831
L-Alanyl-L-proline	5	187.10818
dUMP	1.88	309.04913
ELK	5.029	389.23978
3-(4-cyanophenyl)prop-2-ynyl thiophene-2-carboxylate	1.354	285.0694
S-Adenosylhomocysteine	2.191	385.12875
Dihydrothymine	1.313	129.06593
5-Hydroxyindole-3-acetic acid	4.682	192.06586
5a-Dihydrotestosterone glucuronide	5.269	467.25711
5,6-Dihydroxyindole-2-Carboxylic Acid	2.32	194.04491
L-Kynurenine	4.683	209.09247
S-Adenosylmethionine	1.207	399.14441
6-Pentyl-2H-pyran-2-one	5.891	167.10425
Cortisone	5.649	721.39038
PC (20:4e/2:0)	9.627	572.37109
N3,N4-Dimethyl-L-arginine	1.31	203.15038
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide	1.209	285.11911
L-Argininosuccinate	1.236	291.12991
N'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide	2.419	277.08536
4-[4-(1-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyridine	3.35	306.08099
LPC 18:3	8.76	518.32434
Proline-hydroxyproline	5.174	229.11894
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-2-oxobutyl acetate	10.429	357.06604
DL-5-Methoxytryptophan	5.162	235.10782
alpha-Farnesene	9.96	205.19519
PC (16:1/18:5)	11.625	750.50311
1-Methylguanine	4.653	166.07271
1-Phenyl-3-methyl-5-pyrazolone	5.108	175.08693
4-Guanidinobutyric acid	1.384	146.09262
S-Adenosyl-L-methionine	1.206	399.14484
DL-2-(acetylamino)-3-phenylpropanoic acid	1.385	242.15002
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	8.381	258.2428
Phosphocholine	1.236	184.07361
2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate	1.27	183.0864
Haloperidol metabolite II	5.316	378.16776
PC (17:2/17:2)	11.58	754.53693
Inosine	3.43	269.08826
Pantothenic acid	4.988	220.11845
PC (20:3e/2:0)	9.644	574.3869
3-(1-naphthylmethylidene)indolin-2-one	6.627	272.10699
PC (18:2e/4:0)	10.561	576.4024
LLK	5.049	187.14438
PC (18:3e/14:0)	10.54	714.54333
APK	5.056	315.20313
LMK	5.035	185.12915
2,3-dihydroxypropyl 12-methyltridecanoate	9.106	303.25305
7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one	1.359	271.09018
EKK	1.079	202.62885
gamma-Glutamylleucine	5.06	261.14508
Ala-Val	2.669	189.1239
Ingenol-3-angelate	1.269	431.23615
4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazole	9.626	223.06363
(+)-alpha-Lipoic acid	1.151	207.05081
L-Palmitoylcarnitine	9.644	400.34225
gamma-Glutamylcysteine	1.842	251.06964
Pyridoxamine	1.133	169.09489
3-(3-Methoxyphenyl)propionic acid	4.859	181.08629
Ribulose-5-phosphate	1.283	231.02702
MLK	5.037	391.23401
N,N-Dimethyldecylamine N-oxide	6.092	202.21663
Acetylcysteine	1.394	164.03786
Acetylcholine	1.305	146.11769
Thiazolidine-4-carboxylic acid	1.38	134.02725
ALK	4.718	331.23444
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	1.186	305.11969
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde	6.318	202.12268
L-(-)-Methionine	1.911	150.05846
N-Acetyl-DL-glutamic acid	2.143	190.07126
N,N-Diethyldodecanamide	7.206	256.26346
5-Hydroxytryptophan	4.912	221.09233
Methyl 3-indolyacetate	5.104	190.08652
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	4.867	179.07054
PC (18:3/18:4)	10.249	776.52142
3-{[(4-fluorophenyl)sulfonyl]amino}-5-phenylthiophene-2-carboxamide	6.002	399.02756
4-OHE2-1-N3Ade	4.513	422.2149
2-(1,3,4-oxadiazol-2-yl)phenyl 4-chlorobenzoate	1.214	301.03317
Mag (18:1)	9.542	357.2999
2-[2-(1-isobutylcyclohexyl)-1-methylethylidene]hydrazine-1-carboxamide	4.859	292.17624
N-Acetylvaline	1.38	160.09708
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid	5.538	190.09023
Palmitoyl ethanolamide	9.676	300.28964
LPH	4.886	366.21848
JWH 250 N-pentanoic acid metabolite	4.896	366.16641
PC (14:0e/16:1)	10.943	690.54315
Arachidonoyl ethanolamide phosphate	5.081	428.25137
Uracil	2.164	113.03466
LPC 14:1	7.842	466.29312
Homo-Gamma-Linolenic Acid (C20:3)	10.197	307.263
S-(5-Adenosy)-L-Homocysteine	1.381	385.12958
Leucylproline	5.103	229.1553
PC(16:0/16:0)	11.8	734.56927
Cortisol	5.346	725.41345
3-N-Methyl-L-histidine	1.381	188.10332
L-Threonine	1.254	120.06561
2-(14,15-Epoxyeicosatrienoyl) glycerol	10.318	395.27673
PC (18:3e/15:0)	10.338	728.56128
1,4-dihydroxyheptadec-16-en-2-yl acetate	9.259	311.25793
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	5.238	265.15546
N-Acetylglucosamine 1-phosphate	1.313	302.06302
Sulfamerazine	4.778	243.09804
N-Methyldioctylamine	7.404	256.29977
delta-Tocopherol	7.965	403.35736
L-Tyrosinemethylester	4.882	196.09706
2-Thio-acetyl MAGE	9.833	397.27274
INK	4.611	189.12366
Stearoyl Ethanolamide	10.667	310.31039
2-Methoxybenzaldehyde	1.16	154.084
Di(2-ethylhexyl) phthalate	10.732	391.28412
N-Acetylsphingosine	7.229	324.28995
EMK	4.889	407.19357
Androstenedione	5.951	287.19647
Spermidine	1.085	146.16533
1-Nitrosopiperidine (NPIP)	1.097	115.08676
DL-Glutamine	1.34	147.07652
Alanyltyrosine	4.623	253.11876
Myristic acid	9.104	229.21643
3-Methoxy prostaglandin F1a	7.988	369.2612
Glyceraldehyde 3-phosphate	1.284	192.98744
Docosanamide	10.104	340.35764
O-Acetyl-L-carnitine	5.726	204.12332
VLK	5.137	359.2655
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	1.161	169.04709
UR-144 N-Heptyl analog	5.423	340.26047
SMK	4.895	365.18158
Glycocholic acid hydrate	4.899	242.66611
L-(-)-alpha-Amino-epsilon-Caprolactam	1.383	129.10233
GLK	1.912	317.21863
Val-Ser	2.522	205.11852
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol	5.173	451.23083
11(Z),14(Z),17(Z)-Eicosatrienoic acid	9.006	307.263
5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazole	7.793	397.04175
LPC 14:0	8.381	468.30862
N-P-Coumaroyl Spermidine	6.504	292.20181
2-Phenylglycine	1.422	152.0708
IPH	2.544	366.21448
Vitamin A	9.818	287.23663
Adipamide	1.338	145.09753
All-Trans-13,14-Dihydroretinol	10.097	289.25256
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile	9.263	258.11035
KMH	7.007	397.20053
PC (16:1/16:2)	9.533	728.51947
PC (18:1/18:1)	11.308	786.59564
PC (15:0/15:1)	10.054	704.52197
PC (18:5e/2:0)	8.416	542.32446
Indirubin	6.726	263.08179
PC (16:2e/2:0)	8.95	520.34009
LPC 22:6	9.018	568.33759
2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile	9.821	253.07405
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	5.112	231.17094
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	4.766	249.14561
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	4.874	295.12903
PC (18:1/18:5)	9.674	778.53961
Asparagine	1.218	133.0609
Oxytetracycline	10.445	483.13312
7-(2-thienyl)[1,2,4]triazolo[4,3-a]pyrimidine	1.271	225.01627
PC (18:5e/4:0)	9.307	570.35577
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	10.176	303.22946
Gly-Tyr	4.436	239.10266
Penicillin G	5.498	335.10699
Psychosine	7.144	462.34232
Hexadecanamide	9.776	256.2634
6-(4-phenylpiperazino)hexanoic acid hydrochloride	5.087	277.18945
LysoPC 20:2	9.334	548.37195
bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate	3.687	279.10104
VMK	4.742	359.20627
5-Methoxyindole-3-Carbaldehyde	5.182	176.07076
Palmitoylethanolamide	9.112	300.2897
2,4-dihydroxyheptadec-16-en-1-yl acetate	9.34	351.25058
Mezlocillin	11.132	557.15192
PC (18:1/19:2)	10.798	820.58105
Phosphoethanolamine	1.231	125.00005
TMK	4.668	361.18546
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	6.724	253.17722
5,6-dihydroxyindole	4.684	150.05528
7-(2-aminophenyl)heptanoic acid	7.241	222.14874
Monoolein	10.05	357.2999
5'-S-Methyl-5'-thioadenosine	5.092	298.09747
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate	1.285	227.03334
Tyramine	4.996	138.09171
alpha-Benzylsuccinic acid	6.409	209.0808
PC (14:0e/12:0)	11.216	636.49658
QPK	1.376	186.61607
D-(+)-Proline	1.354	116.07072
?-Aminobutyric acid (GABA)	1.409	104.07079
6,7,8-trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one	5.541	323.10999
1-(6-hydroxy-4,7-dimethoxybenzo[b]furan-5-yl)ethan-1-one	9.681	237.07928
(2E)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl beta-D-glucopyranoside	4.707	350.2193
Prostaglandin G2	4.713	369.22528
CYM-5442	5.619	410.20798
TKK	6.506	376.25922
Dihomo-?-linolenic acid methyl ester	8.493	356.3161
N-Acetyl-L-histidine	1.379	198.08783
N6-Acetyl-L-lysine	1.396	189.12387
3-Hydroxylidocaine	5.082	251.17401
PC (16:0/17:2)	10.372	744.54761
tetranor-12(R)-HETE	8.173	249.1825
MAG (18:4)	7.276	351.2514
FLK	1.082	204.13449
C-8 Ceramide-1-phosphate	10.067	506.36053
L-Carnitine	1.259	162.11241
Indole-3-acrylic acid	5.149	188.07092
Daidzein	5.848	255.06544
PC (14:0e/16:2)	9.144	688.5213
1-Methylhistidine	1.197	170.09247
Methyl palmitate	6.504	271.26279
Ureidoisobutyric Acid	4.693	147.07674
Genistein	6.026	271.06018
Tetramethylpyrazine	5.928	137.1076
16-Heptadecyne-1,2,4-triol	8.792	307.22653
DL-Tryptophan	5.138	205.09766
Pro-Leu	1.396	229.15498
L-Histidine	1.209	156.07692
Hypoxanthine	2.863	137.04594
UDP-galactose	1.472	611.02734
N-Acetyl-aspartic acid	1.822	176.05557
N-(9-oxodecyl)acetamide	5.539	252.13478
Stearamide	10.644	284.2948
Cytosine	1.382	112.05082
D-Alanyl-D-alanine	1.345	161.09219
D-Serine	1.218	106.04993
NAD+	1.385	664.11548
Cuminaldehyde	7.054	149.09613
PC (14:0e/3:0)	9.914	510.35547
5a-Dihydrotestosterone	8.797	291.23184
2-Hydroxycinnamic acid	2.204	165.05482
PNK	1.371	179.60822
Ergocalciferol	8.494	397.34616
Epoxomicin	7.863	555.37238
L-Glutathione oxidized	2.187	613.15979
5-Methyl-2'-deoxycytidine	1.393	242.11357
N,N-Dimethylsphingosine	7.691	328.32104
(5-L-Glutamyl)-L-Amino Acid	1.364	219.09776
a-Aspartylphenylalanine	5.187	281.11392
L-Alanyl-L-Lysine	1.083	218.1501
2-Amino-1,3-octadecanediol	7.375	302.30551
Gly-Val	2.931	175.10796
3-hydroxy-1,5-diphenylpentan-1-one	7.651	277.11978
PC (14:1e/4:0)	9.489	522.35559
6-Methylquinoline	5.138	144.08113
N-Acetylmethionine	5.249	192.06937
Choline	1.215	104.10709
18-ß-Glycyrrhetinic acid	6.957	471.35455
2-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]acrylonitrile	6.637	313.09708
Kanosamine	1.426	162.07634
Homocysteic acid	1.349	184.02765
4-Methylumbelliferone hydrate	6.407	177.0546
PC (20:4e/4:0)	10.439	600.40271
1-Palmitoylglycerol	9.829	331.2843
N-Acetylornithine	1.59	175.10797
N-Acetyl-L-leucine	6.689	174.11267
SM (d18:1/16:1)	10.328	701.55896
Glycerol-3-phosphate	1.203	173.02112
PC (18:1e/14:0)	11.433	718.57434
Fmoc-L-Isoleucine	1.345	354.16922
Thromboxane B2	4.734	393.22006
PC (16:0/16:1)	10.309	732.55328
JNJ-1661010	1.373	366.13947
2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile	6	261.02182
L-Hydroxylysine	1.085	163.10782
DL-Citrulline	1.274	176.10327
Adenosine	2.916	268.10413
PC (16:1/17:2)	10.303	742.53699
Beta-Muricholic acid	7.631	409.29648
2-Phenylacetamide	4.682	136.07591
H-gamma-glutamyl-glutamine	1.368	276.11923
Sulcatol	5.697	129.12737
RKK	5.092	431.30542
Bis(3,5,5-trimethylhexyl) phthalate	8.343	419.31567
Taurocholic acid	4.958	258.65244
DL-Norvaline	1.492	118.08635
2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol	7.161	331.13031
2,6-Dihydroxypurine	1.393	153.04085
Biotin	5.059	245.09241
Glu-Thr	1.374	249.10829
PC (16:1/16:1)	10.928	730.5376
L-Cystathionine	2.316	223.07448
Sphinganine	6.62	302.30533
Eicosapentaenoic acid ethyl ester	8.76	331.26334
PC (19:2/18:3)	11.502	794.56732
Ala-Gln	1.309	218.1136
8-Hydroxyguanosine	5.132	300.09314
PC (18:3e/18:5)	11.771	760.51868
5-Methylcytosine	1.382	126.06622
IMH	4.96	200.60312
PC (15:1/15:1)	11.247	702.50653
DL-Arginine	1.201	175.11905
Creatine	1.316	132.07684
4-(trifluoromethyl)nicotinic acid	1.257	192.0244
2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid	1.202	261.08817
N-Oleoyl Glycine	7.185	340.28421
NPK	5.048	358.21201
octadec-9-ynoic acid	9.651	263.23697
Oleoyl ethylamide	7.689	310.31049
Glucose-6-phosphate	1.269	261.03735
PC (18:2e/2:0)	9.774	548.37128
L-Tyrosine	2.201	182.08144
4-Ethylbenzaldehyde	7.054	135.08038
PC (17:0/18:2)	10.696	772.59161
2-(4,4-diphenyl-1-piperidinobuta-1,3-dienyl)phenyl acetate	5.578	406.21826
2-oxopiperidine-3-carbohydrazide	1.201	158.09256
trans-4-Phenyl-4-piperidinocyclohexanol	4.403	260.19708
Phe-Phe	5.435	313.15536
3'-Adenosine monophosphate (3'-AMP)	1.386	348.07071
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide	6.632	153.06599
7-Hydroxy-3,4-dihydrocarbostyril	4.829	146.06044
PC (14:0e/2:0)	9.263	496.33981
HexCer-NS (d18:1/16:0)	10.998	700.57159
PC (14:0e/20:3)	10.312	742.5744
?-L-Glutamyl-L-glutamic acid	1.38	277.10318
1-Methylguanosine	4.985	298.11536
2-Arachidonyl glycerol ether	10.332	365.30499
beta-Estradiol 17-Acetate	5.317	315.19394
PC (14:0e/18:2)	10.931	716.55798
L-lysine	1.098	147.11296
6-Hydroxymelatonin	4.875	249.12694
Guanosine monophosphate	1.664	364.06549